Add documentation to pychop

pace-neutrons · Nov 27, 2024 · 6351d21 · 6351d21
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Showing 10 changed files with 875 additions and 60 deletions.
diff --git a/src/resolution_functions/instrument_data/arcs.yaml b/src/resolution_functions/instrument_data/arcs.yaml
@@ -8,10 +8,8 @@ version:
             d_sample_detector: 3.0                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.1751         # Width of aperture at moderator face (m)
             theta: -13.75                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 500  # meV
             allowed_e_init: [ 20, 1500 ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 300
             allowed_chopper_frequencies: [60, 601, 60]
             frequency_matrix: [[1]]

diff --git a/src/resolution_functions/instrument_data/cncs.yaml b/src/resolution_functions/instrument_data/cncs.yaml
@@ -49,10 +49,8 @@ version:
             d_sample_detector: 3.5                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.        # Width of aperture at moderator face (m)
             theta: 32.0                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 20  # meV
             allowed_e_init: [ 0.5, 80 ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: [ 300, 60 ]
             allowed_chopper_frequencies: [[60, 301, 60], [60, 301, 60]]
             constant_frequencies: [0, 60, 60, 0]
@@ -67,7 +65,6 @@ version:
             moderator:
                 type: 3
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: [28.60141458, 26.65479018, 24.84065387, 23.14998844, 21.57439041,
                                        20.10602826, 18.73760346, 17.46231422, 16.27382172, 15.16621852,
                                        14.13399926, 13.17203328, 12.27553911, 11.44006072, 10.66144534,

diff --git a/src/resolution_functions/instrument_data/hyspec.yaml b/src/resolution_functions/instrument_data/hyspec.yaml
@@ -8,10 +8,8 @@ version:
             d_sample_detector: 4.5                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.0         # Width of aperture at moderator face (m)
             theta: 32.0                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 30  # meV
             allowed_e_init: [ 3.6, 61.0 ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 180
             allowed_chopper_frequencies: [60, 421, 60]
             frequency_matrix:
@@ -21,7 +19,6 @@ version:
             moderator:
                 type: 3
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: [28.60141458, 26.65479018, 24.84065387, 23.14998844, 21.57439041,
                                        20.10602826, 18.73760346, 17.46231422, 16.27382172, 15.16621852,
                                        14.13399926, 13.17203328, 12.27553911, 11.44006072, 10.66144534,

diff --git a/src/resolution_functions/instrument_data/let.yaml b/src/resolution_functions/instrument_data/let.yaml
@@ -58,10 +58,8 @@ version:
             d_sample_detector: 3.5                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.        # Width of aperture at moderator face (m)
             theta: 32.0                  # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 20  # meV
             allowed_e_init: [ 0., 30. ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: [ 240, 120 ]
             allowed_chopper_frequencies: [[10, 301, 10], [10, 301, 10]]
             constant_frequencies: [0, 10, 0, 0, 0]
@@ -71,7 +69,6 @@ version:
             moderator:
                 type: 3
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: [3.8063, 2.1961, 6.2121, 5.3820, 1.4371, 1.7010, 2.6920, 1.9013]
                 measured_width: [90.4, 40.8, 154.4, 131.2, 22.4, 25.6, 52.4, 32.4]
                 parameters: [0.535, 49.28, -3.143]      # Parameters for time profile

diff --git a/src/resolution_functions/instrument_data/maps.yaml b/src/resolution_functions/instrument_data/maps.yaml
@@ -8,10 +8,8 @@ version:
             d_sample_detector: 6.0                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.094         # Width of aperture at moderator face (m)
             theta: 32.0                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 500  # meV
             allowed_e_init: [ 0, 2000 ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 400
             allowed_chopper_frequencies: [50, 601, 50]
             frequency_matrix:

diff --git a/src/resolution_functions/instrument_data/mari.yaml b/src/resolution_functions/instrument_data/mari.yaml
@@ -8,9 +8,7 @@ version:
             d_sample_detector: 4.022                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.06667        # Width of aperture at moderator face (m)
             theta: 13.0                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 500  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 400
             allowed_chopper_frequencies: [50, 601, 50]
             frequency_matrix:
@@ -19,7 +17,6 @@ version:
             moderator:
                 type: 2
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: [4.0240, 5.6898, 2.3250, 2.8480, 1.5224, 3.4331, 1.8009, 1.1167]
                 measured_width: [53.2, 62, 39.2, 44.8, 18.8, 48.8, 27.2, 12.4]
                 parameters: [ 38.6, 0.5226 ]      # Parameters for time profile

diff --git a/src/resolution_functions/instrument_data/merlin.yaml b/src/resolution_functions/instrument_data/merlin.yaml
@@ -8,9 +8,7 @@ version:
             d_sample_detector: 2.5                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.06667         # Width of aperture at moderator face (m)
             theta: 26.7                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 400  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 400
             allowed_chopper_frequencies: [50, 601, 50]
             frequency_matrix:
@@ -19,7 +17,6 @@ version:
             moderator:
                 type: 2
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: [3.81238, 5.38791, 2.20214, 2.69636, 3.25068, 1.70664, 1.9078, 1.4425, 3.11379, 2.41294, 2.47528, 1.27219, 2.07682, 1.05882, 1.55818]
                 measured_width: [49, 56, 34, 37, 42, 29, 30, 25, 40, 34, 35, 21, 31, 18, 26]
                 parameters: [80.0, 0.5226]      # Parameters for time profile

diff --git a/src/resolution_functions/instrument_data/sequoia.yaml b/src/resolution_functions/instrument_data/sequoia.yaml
@@ -8,19 +8,15 @@ version:
             d_sample_detector: 5.5                  # Distance (x2) from sample to detector (m)
             aperture_width: 0.050         # Width of aperture at moderator face (m)
             theta: -13.75                   # Angle beamline makes with moderator face (degrees)
-            q_size: 100
             default_e_init: 500  # meV
             allowed_e_init: [ 4, 6000 ]  # meV
-            max_wavenumber: 2000  # meV
             default_chopper_frequency: 300
             allowed_chopper_frequencies: [60, 601, 60]
             frequency_matrix: [[1]]
             moderator:
                 type: 1
                 scaling_function: null
-                scaling_parameters: null
                 measured_wavelength: null
-                measured_width: null
                 parameters: [119.63, 33.618, .037, .17, 172.42]      # Parameters for time profile
             detector:
                 type: 2

diff --git a/src/resolution_functions/models/panther_abins.py b/src/resolution_functions/models/panther_abins.py
@@ -1,4 +1,10 @@
-"""The AbINS model of the PANTHER instrument."""
+"""
+The AbINS model of the PANTHER instrument.
+
+All classes within are exposed for reference only and should not be instantiated directly. For
+obtaining the resolution function of an instrument, please use the
+`Instrument.get_resolution_function` method.
+"""
 from __future__ import annotations
 
 from dataclasses import dataclass